chempirical

Diphenyl brown GR

C31H22N8Na2O6SCAS 3811-71-0680.61 g/mol

Open in Covalent MOL file
H2NNH2NNSO−OONNNNHOO−ONa+Na+
AzoCarboxylic acidPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C31H22N8Na2O6S
Molar mass
680.61 g/mol
Exact mass
680.1178 Da
logP
7.65Crippen estimate
Polar surface area
238.1 Ų
H-bond donors / acceptors
5 / 12
Rotatable bonds
9

Identifiers

CAS number
3811-71-0
SMILES
Nc1cc(N)c(N=Nc2ccc(S([O-])(=O)=O)cc2)cc1N=Nc1ccc(-c2ccc(N=Nc3ccc(O)c(C([O-])=O)c3)cc2)cc1.[Na+].[Na+]
InChIKey
AJWUACMISJYBND-UHFFFAOYSA-N
InChI
InChI=1S/C31H24N8O6S.2Na/c32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

57 names · show all
  • Benzoic acid, 5-[2-[4′-[2-[2,4-diamino-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2)
  • C.I. Direct Brown 1, disodium salt
  • Benzoic acid, 5-[[4′-[[2,4-diamino-5-[(4-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt
  • Salicylic acid, 5-[[4′-[[2,4-diamino-5-[(p-sulfophenyl)azo]phenyl]azo]-4-biphenylyl]azo]-, disodium salt
  • C.I. 30045
  • Airedale brown GWD
  • Amanil brown D 3G
  • Atlantic brown 3GN
  • Azine brown 2RG
  • Azocard brown 3G
  • Bencidal brown 3G
  • Azine brown 3G
  • Azocard brown 3GR
  • Azocard brown 5G
  • Benzanil brown GW
  • Benzanol brown CG
  • Benzo orange brown D 3G
  • Brasilamina brown GN
  • Calcomine yellow brown K
  • Chrome leather brown 5G
  • Cupranil brown G
  • Diacotton brown 3G
  • Diamine brown 3GN
  • Diaphtamine brown 3G
  • Diphenyl brown GRI
  • Diphenyl brown MG
  • Direct brown D 3G
  • Direct brown G
  • Direct brown M 2GS
  • Direct brown 3GO
  • Direct brown JJ
  • Direct chrome brown G
  • Dirochrome brown G
  • Enianil brown 3GO
  • Erie brown CN
  • Fenamin brown 3G
  • Havana EMB
  • Hispamin brown CTN
  • Honey yellow 3GN
  • Kayaku direct brown 3G
  • Diamine brown 3GPA
  • Metadiazol brown 2JO
  • Mitsui direct brown 3G
  • Naphtamine brown D 3G
  • Nippon brown 3G
  • Paramine brown G
  • Pheno brown 3GXX
  • Pheno brown RP
  • Tertrodirect brown G
  • Trisulfon brown M
  • Trisulfon brown TW
  • Trisulfon brown TWP
  • Metadiazol brown 3JO
  • Vondacel brown G
  • Direct brown ZhKh
  • C.I. Direct brown 1
  • Direct brown 1

Work with Diphenyl brown GR

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

C.I. Mordant yellow 106054-99-576 % similar Olsalazine sodium6054-98-457 % similar Alizarine yellow R1718-34-950 % similar Chrysoine resorcinol547-57-948 % similar Acid orange 20523-44-448 % similar Monochrome yellow 1 sodium salt584-42-946 % similar Sunset yellow fcf2783-94-044 % similar Direct blue 62602-46-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook